begin
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lattice             0.000000            9.716666            0.000000
lattice             0.000000            0.000000           14.129322
atom          -0.006589478         0.009994765         3.257579222 O      -0.240244      0.000000     -0.000411      0.001926      0.009947
atom           0.001719651         4.858527487         6.808015088 O      -0.242134      0.000000     -0.020804      0.000443      0.013399
atom           4.823418251         0.026257755         7.310958337 O      -0.239876      0.000000      0.000770     -0.040620      0.001369
atom           4.828375005         4.830119223         3.792500430 O      -0.241319      0.000000      0.016998      0.000707     -0.006202
atom           4.811588561         4.853771044        10.349414279 O      -0.242113      0.000000      0.000848      0.021624      0.014391
atom           4.879237004         9.697362130        13.917547437 O      -0.240743      0.000000      0.000740     -0.001655     -0.025347
atom           9.668488993         4.832887673        14.364881694 O      -0.243392      0.000000      0.000278     -0.007567     -0.001733
atom           9.674477538         9.765201435        10.883700539 O      -0.239044      0.000000      0.021521     -0.002604     -0.026971
atom           0.045436593         1.442192310         4.437320594 H       0.119710      0.000000     -0.000443      0.000689     -0.005578
atom           4.870619849         3.359643371        11.439214100 H       0.120474      0.000000      0.000354      0.004548      0.001447
atom          -1.507714810         4.848579965         7.962623092 H       0.121814      0.000000      0.017411     -0.000244     -0.013773
atom           6.274666133         0.011485760        15.061633442 H       0.120400      0.000000      0.017450      0.000380      0.011962
atom           4.886338597         1.423960225         6.185947235 H       0.117144      0.000000      0.000233      0.021847     -0.015970
atom           0.032102680         3.374638354        -0.921449723 H       0.119301      0.000000     -0.001328      0.005873      0.003979
atom           6.294290946         4.843158338         2.612777955 H       0.122547      0.000000     -0.011758     -0.000275      0.009212
atom          -1.486236174        -0.043061206        -4.420296045 H       0.118414      0.000000      0.004767      0.001510      0.005612
atom           4.860581620         6.364494300        11.527454897 H       0.124276      0.000000     -0.000699     -0.025134     -0.015070
atom           9.691025876         8.297431672        18.560825584 H       0.119064      0.000000      0.000666     -0.002807     -0.003734
atom           3.425343505         9.758370073        14.980433768 H       0.120952      0.000000     -0.018566      0.000266      0.012555
atom          11.144424266         4.857796163        22.102914526 H       0.117229      0.000000      0.002828     -0.000161      0.001269
atom           9.692463958         6.303535490        13.260655697 H       0.119168      0.000000      0.000179      0.001868     -0.002312
atom           4.906481196         8.234564238         6.155131459 H       0.125091      0.000000     -0.002115      0.017327      0.014659
atom          11.189203234         9.693945504         9.690663048 H       0.123457      0.000000     -0.024905      0.001809      0.020449
atom           3.361888366         4.876052814         2.690360692 H       0.119954      0.000000     -0.004013      0.000251     -0.003560
energy          -612.577467
charge             0.000000
end
